[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol

C15H20ClN3O2 — CID 46309520

IUPAC[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(Cl)cc2n1CCCN1CCOCC1
InChIInChI=1S/C15H20ClN3O2/c16-12-2-3-13-14(10-12)19(15(11-20)17-13)5-1-4-18-6-8-21-9-7-18/h2-3,10,20H,1,4-9,11H2
InChIKeyPAZJFBMTTPUIFI-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.90
Rot. Bonds5

About [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol

[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol (PubChem CID 46309520) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol
PubChem CID46309520
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(Cl)cc2n1CCCN1CCOCC1
InChIInChI=1S/C15H20ClN3O2/c16-12-2-3-13-14(10-12)19(15(11-20)17-13)5-1-4-18-6-8-21-9-7-18/h2-3,10,20H,1,4-9,11H2
InChIKeyPAZJFBMTTPUIFI-UHFFFAOYSA-N
XLogP1.90
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol
CID 46309522
4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine
CID 46309516
4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
CID 46309567
4-[6-chloro-2-(hydroxymethyl)benzimidazol-1-yl]butanenitrile
CID 90103206
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine
CID 46309574
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
CID 46310204
8-chloro-10-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ylpropyl)benzo[g]pteridine-2,4-dione
CID 87721687
4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 851996

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol?
The IUPAC name of [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol (CID 46309520) is [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol is OCc1nc2ccc(Cl)cc2n1CCCN1CCOCC1.
What is the InChIKey of [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol?
The InChIKey is PAZJFBMTTPUIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-12-2-3-13-14(10-12)19(15(11-20)17-13)5-1-4-18-6-8-21-9-7-18/h2-3,10,20H,1,4-9,11H2.
What are the key properties of [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol?
[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol has a molecular weight of 309.80 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 46309520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).